(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide

C13H20N6O — CID 124616477

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCCn2ccnn2)n1
InChIInChI=1S/C13H20N6O/c1-10-9-11(2)19(16-10)12(3)13(20)14-5-4-7-18-8-6-15-17-18/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,20)/t12-/m0/s1
InChIKeyRVMAEYRSZUPPQX-LBPRGKRZSA-N
MW276.34 g/mol
LogP0.86
Rot. Bonds6

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide (PubChem CID 124616477) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
PubChem CID124616477
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
SMILESCc1cc(C)n([C@@H](C)C(=O)NCCCn2ccnn2)n1
InChIInChI=1S/C13H20N6O/c1-10-9-11(2)19(16-10)12(3)13(20)14-5-4-7-18-8-6-15-17-18/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,20)/t12-/m0/s1
InChIKeyRVMAEYRSZUPPQX-LBPRGKRZSA-N
XLogP0.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-imidazol-1-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 119069659
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-ethyl-N-[4-(triazol-1-yl)butyl]butanamide
CID 75453912
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535324
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19537924
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
(2S)-2-amino-N-[3-(triazol-1-yl)propyl]hexanamide
CID 107146486
3-amino-2-methoxy-N-[3-(triazol-1-yl)propyl]propanamide
CID 106113671

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide (CID 124616477) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide is Cc1cc(C)n([C@@H](C)C(=O)NCCCn2ccnn2)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide?
The InChIKey is RVMAEYRSZUPPQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-9-11(2)19(16-10)12(3)13(20)14-5-4-7-18-8-6-15-17-18/h6,8-9,12H,4-5,7H2,1-3H3,(H,14,20)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide is sourced from PubChem (CID 124616477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).